3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine

C121H99Cl7F8N12O7S6 — CID 159458313

IUPAC3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine
SMILESCOc1ncc(CC2=CCN=C2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cncs2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2sc(C)cc2C)cc1-c1cccc(Cl)c1.Cc1cc(C)c(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.FC(F)Oc1ncc(Cc2nccs2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C19H16ClF2NOS.C19H18ClNOS.2C17H13ClF2N2OS.C17H15ClN2O.C16H11ClF2N2OS.C16H13ClN2OS/c1-11-6-12(2)25-17(11)8-13-7-16(14-4-3-5-15(20)9-14)18(23-10-13)24-19(21)22;1-12-7-13(2)23-18(12)9-14-8-17(19(22-3)21-11-14)15-5-4-6-16(20)10-15;2*1-10-21-9-14(24-10)5-11-6-15(12-3-2-4-13(18)7-12)16(22-8-11)23-17(19)20;1-21-17-16(14-3-2-4-15(18)9-14)8-13(11-20-17)7-12-5-6-19-10-12;17-12-3-1-2-11(8-12)13-6-10(7-14-20-4-5-23-14)9-21-15(13)22-16(18)19;1-20-16-15(12-3-2-4-13(17)7-12)6-11(8-19-16)5-14-9-18-10-21-14/h3-7,9-10,19H,8H2,1-2H3;4-8,10-11H,9H2,1-3H3;2*2-4,6-9,17H,5H2,1H3;2-5,8-11H,6-7H2,1H3;1-6,8-9,16H,7H2;2-4,6-10H,5H2,1H3
InChIKeyLUGNUMCNJCXXTB-UHFFFAOYSA-N
MW2425.76 g/mol
LogP36.14
Rot. Bonds32

About 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine (PubChem CID 159458313) has the molecular formula C121H99Cl7F8N12O7S6 and a molecular weight of 2425.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine
PubChem CID159458313
Molecular FormulaC121H99Cl7F8N12O7S6
Molecular Weight2425.76 g/mol
Exact Mass2420.38
IUPAC Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine
SMILESCOc1ncc(CC2=CCN=C2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cncs2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2sc(C)cc2C)cc1-c1cccc(Cl)c1.Cc1cc(C)c(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.FC(F)Oc1ncc(Cc2nccs2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C19H16ClF2NOS.C19H18ClNOS.2C17H13ClF2N2OS.C17H15ClN2O.C16H11ClF2N2OS.C16H13ClN2OS/c1-11-6-12(2)25-17(11)8-13-7-16(14-4-3-5-15(20)9-14)18(23-10-13)24-19(21)22;1-12-7-13(2)23-18(12)9-14-8-17(19(22-3)21-11-14)15-5-4-6-16(20)10-15;2*1-10-21-9-14(24-10)5-11-6-15(12-3-2-4-13(18)7-12)16(22-8-11)23-17(19)20;1-21-17-16(14-3-2-4-15(18)9-14)8-13(11-20-17)7-12-5-6-19-10-12;17-12-3-1-2-11(8-12)13-6-10(7-14-20-4-5-23-14)9-21-15(13)22-16(18)19;1-20-16-15(12-3-2-4-13(17)7-12)6-11(8-19-16)5-14-9-18-10-21-14/h3-7,9-10,19H,8H2,1-2H3;4-8,10-11H,9H2,1-3H3;2*2-4,6-9,17H,5H2,1H3;2-5,8-11H,6-7H2,1H3;1-6,8-9,16H,7H2;2-4,6-10H,5H2,1H3
InChIKeyLUGNUMCNJCXXTB-UHFFFAOYSA-N
XLogP36.14
TPSA218.76 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002425.76
LogP ≤ 536.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine with MolForge

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Related Compounds

4-[2-[6-(2-Chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3,5-difluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;tris(2,2,2-trifluoroacetate)
CID 160192978
1-Tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane
CID 157410263
2-Tert-butyl-4-(cyclopenten-1-yl)-6-methylpyridine;2-tert-butyl-4-(1-ethylpyrazol-4-yl)-6-methylpyridine;4-(2-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(3-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-(4-chlorophenyl)-2-methyl-6-propan-2-ylpyridine;4-cyclopentyl-2-methyl-6-propan-2-ylpyridine;4-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-6-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;4-ethyl-2-methyl-6-propan-2-ylpyridine;4-(2-methoxyphenyl)-2-methyl-6-propan-2-ylpyridine;2-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-1,3-thiazole;2-methyl-4-(1-methylpyrrol-3-yl)-6-propan-2-ylpyridine;2-methyl-6-propan-2-yl-4-thiophen-3-ylpyridine
CID 159088647
4-[2-[6-(2-Chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(5-fluoro-2-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(3-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(2-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile
CID 161420478

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine (CID 159458313) is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine is COc1ncc(CC2=CCN=C2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cncs2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2sc(C)cc2C)cc1-c1cccc(Cl)c1.Cc1cc(C)c(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.Cc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)s1.FC(F)Oc1ncc(Cc2nccs2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine?
The InChIKey is LUGNUMCNJCXXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2NOS.C19H18ClNOS.2C17H13ClF2N2OS.C17H15ClN2O.C16H11ClF2N2OS.C16H13ClN2OS/c1-11-6-12(2)25-17(11)8-13-7-16(14-4-3-5-15(20)9-14)18(23-10-13)24-19(21)22;1-12-7-13(2)23-18(12)9-14-8-17(19(22-3)21-11-14)15-5-4-6-16(20)10-15;2*1-10-21-9-14(24-10)5-11-6-15(12-3-2-4-13(18)7-12)16(22-8-11)23-17(19)20;1-21-17-16(14-3-2-4-15(18)9-14)8-13(11-20-17)7-12-5-6-19-10-12;17-12-3-1-2-11(8-12)13-6-10(7-14-20-4-5-23-14)9-21-15(13)22-16(18)19;1-20-16-15(12-3-2-4-13(17)7-12)6-11(8-19-16)5-14-9-18-10-21-14/h3-7,9-10,19H,8H2,1-2H3;4-8,10-11H,9H2,1-3H3;2*2-4,6-9,17H,5H2,1H3;2-5,8-11H,6-7H2,1H3;1-6,8-9,16H,7H2;2-4,6-10H,5H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine?
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine has a molecular weight of 2425.76 g/mol, XLogP of 36.14, 32 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3,5-dimethylthiophen-2-yl)methyl]pyridine;bis(5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methyl-1,3-thiazole);2-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-5-[(3,5-dimethylthiophen-2-yl)methyl]-2-methoxypyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-methoxy-5-(2H-pyrrol-4-ylmethyl)pyridine is sourced from PubChem (CID 159458313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).